#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7a h ALA 2 N 0.00 -0.88 0.00 3.17 0.00 -2.13 -3.48 119.26 115.94 1s7a h ALA 2 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s7a h ALA 2 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1s7a h ALA 2 CO 0.00 -0.88 0.00 -1.91 0.00 0.00 0.00 179.25 176.46 1s7a n GLU 3 N -2.53 0.00 0.00 0.00 2.13 -1.26 -4.98 120.64 114.00 1s7a n GLU 3 Ca -0.01 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.89 1s7a n GLU 3 Cb 0.05 0.00 0.47 0.00 0.27 0.00 0.00 31.44 32.23 1s7a n GLU 3 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1s7a n ASN 4 N 0.00 0.00 -3.10 4.31 5.15 -1.26 -4.92 115.26 115.44 1s7a n ASN 4 Ca 0.00 -0.14 -0.15 0.00 -0.60 0.00 0.00 54.58 53.69 1s7a n ASN 4 Cb 0.00 -0.20 0.02 0.00 -0.53 0.00 0.00 39.78 39.06 1s7a n ASN 4 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s7a n GLY 5 N 0.17 -1.17 3.41 8.20 0.00 -1.26 -4.77 105.19 109.77 1s7a n GLY 5 Ca 0.10 0.88 -0.42 0.00 0.00 0.00 0.00 46.02 46.57 1s7a n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s7a n ASP 6 N 0.19 -1.35 -0.79 1.61 8.00 -1.26 -4.88 116.55 118.08 1s7a n ASP 6 Ca 0.01 0.91 0.06 0.00 0.71 0.00 0.00 54.79 56.49 1s7a n ASP 6 Cb 0.46 -1.05 0.23 0.00 -0.02 0.00 0.00 41.12 40.74 1s7a n ASP 6 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1s7a n ASN 7 N 1.61 3.31 0.01 -2.24 0.23 -1.26 -4.65 115.26 112.28 1s7a n ASN 7 Ca 0.12 -3.19 0.01 0.00 -0.53 0.00 0.00 54.58 50.99 1s7a n ASN 7 Cb 0.38 -0.54 0.34 0.00 -2.08 0.00 0.00 39.78 37.88 1s7a n ASN 7 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1s7a h GLU 8 N 1.31 0.49 -0.56 -3.83 4.81 -2.00 -2.34 114.58 112.47 1s7a h GLU 8 Ca 0.04 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1s7a h GLU 8 Cb 1.40 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1s7a h GLU 8 CO 0.21 0.48 0.36 -0.22 -0.73 0.00 0.00 179.01 179.11 1s7a h LYS 9 N 0.48 0.70 -0.40 1.92 3.64 -2.00 -0.99 116.57 119.94 1s7a h LYS 9 Ca 0.11 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1s7a h LYS 9 Cb 0.24 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1s7a h LYS 9 CO 0.00 0.47 -0.35 0.52 -2.27 0.00 0.00 179.45 177.82 1s7a h MET 10 N 0.73 0.94 0.18 1.90 2.86 -1.83 -1.63 114.93 118.07 1s7a h MET 10 Ca 0.21 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1s7a h MET 10 Cb -0.05 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1s7a h MET 10 CO -0.06 1.13 -0.13 0.00 1.06 0.00 0.00 176.91 178.91 1s7a h ALA 11 N 0.78 -0.30 -0.21 6.32 0.00 -1.08 -1.82 119.26 122.96 1s7a h ALA 11 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1s7a h ALA 11 Cb 0.94 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1s7a h ALA 11 CO 0.09 -0.68 0.04 0.00 0.00 0.00 0.00 179.25 178.70 1s7a h ALA 12 N 0.48 1.68 -0.31 0.00 0.00 -1.18 -1.79 119.26 118.13 1s7a h ALA 12 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1s7a h ALA 12 Cb 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1s7a h ALA 12 CO -0.00 0.25 0.21 1.25 0.00 0.00 0.00 179.25 180.95 1s7a h LEU 13 N 0.29 0.30 -0.21 0.00 6.46 -0.44 -1.93 115.31 119.80 1s7a h LEU 13 Ca 0.07 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.78 1s7a h LEU 13 Cb 0.14 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1s7a h LEU 13 CO -0.00 0.21 -0.05 -0.33 -0.62 0.00 0.00 178.44 177.65 1s7a h GLU 14 N 0.35 0.40 -0.70 1.25 4.39 -0.95 -2.11 114.58 117.22 1s7a h GLU 14 Ca 0.12 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1s7a h GLU 14 Cb 0.06 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1s7a h GLU 14 CO -0.03 0.65 0.46 0.00 -1.16 0.00 0.00 179.01 178.94 1s7a h ALA 15 N 0.74 0.89 -0.94 3.43 0.00 -1.42 -1.91 119.26 120.05 1s7a h ALA 15 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s7a h ALA 15 Cb 0.51 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1s7a h ALA 15 CO 0.02 0.30 0.59 0.87 0.00 0.00 0.00 179.25 181.04 1s7a h LYS 16 N 0.94 1.25 -0.45 0.00 6.56 -1.27 -1.36 116.57 122.25 1s7a h LYS 16 Ca 0.26 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.75 1s7a h LYS 16 Cb -0.09 -0.27 -0.02 0.00 -0.57 0.00 0.00 32.23 31.27 1s7a h LYS 16 CO -0.06 0.85 0.25 0.82 -2.06 0.00 0.00 179.45 179.25 1s7a h ILE 17 N 1.28 1.16 -0.62 1.86 2.04 -0.65 -0.87 117.51 121.70 1s7a h ILE 17 Ca 0.34 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 1s7a h ILE 17 Cb -0.10 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1s7a h ILE 17 CO -0.07 0.16 0.14 0.00 0.00 0.00 0.00 178.15 178.39 1s7a h HIS 19 N 0.92 0.73 -0.12 0.00 3.86 -0.91 -1.95 115.15 117.67 1s7a h HIS 19 Ca 0.19 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1s7a h HIS 19 Cb 0.37 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1s7a h HIS 19 CO 0.03 0.60 0.05 1.96 0.86 0.00 0.00 177.93 181.43 1s7a h GLN 20 N 0.70 0.17 -0.66 2.45 7.50 -0.80 0.02 115.11 124.50 1s7a h GLN 20 Ca 0.16 -0.03 0.06 0.00 0.50 0.00 0.00 58.65 59.35 1s7a h GLN 20 Cb 0.21 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 27.67 1s7a h GLN 20 CO -0.01 0.25 0.43 0.82 -1.50 0.00 0.00 178.83 178.83 1s7a h ILE 21 N 0.06 1.01 -0.33 2.54 1.08 -1.24 0.17 117.51 120.80 1s7a h ILE 21 Ca 0.04 -0.23 -0.06 0.00 -0.39 0.00 0.00 64.86 64.22 1s7a h ILE 21 Cb 0.14 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1s7a h ILE 21 CO -0.00 0.12 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.20 1s7a h GLU 22 N 0.67 0.53 -0.56 2.37 5.08 -0.52 -2.41 114.58 119.74 1s7a h GLU 22 Ca 0.28 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1s7a h GLU 22 Cb 0.25 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1s7a h GLU 22 CO -0.09 0.59 0.32 -0.92 -1.00 0.00 0.00 179.01 177.91 1s7a h TYR 23 N 0.50 0.60 0.02 4.33 3.20 0.12 8.01 116.97 133.75 1s7a h TYR 23 Ca 0.10 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.79 1s7a h TYR 23 Cb 0.39 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1s7a h TYR 23 CO 0.01 0.32 -0.95 1.88 -1.64 0.00 0.00 178.16 177.79 1s7a h TYR 24 N 0.63 0.14 0.00 -3.82 0.05 -1.47 -3.33 116.97 109.17 1s7a h TYR 24 Ca 0.24 -0.09 -0.12 0.00 0.05 0.00 0.00 58.73 58.81 1s7a h TYR 24 Cb 0.08 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 1s7a h TYR 24 CO -0.07 0.98 -1.72 1.19 -1.05 0.00 0.00 178.16 177.48 1s7a n PHE 25 N -3.52 0.00 -0.01 4.88 3.01 -0.92 -0.67 117.46 120.22 1s7a n PHE 25 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1s7a n PHE 25 Cb 0.87 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1s7a n PHE 25 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s7a n GLY 26 N 2.03 -0.07 0.00 1.37 0.00 2.56 -4.52 105.19 106.56 1s7a n GLY 26 Ca -0.12 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1s7a n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s7a n ASP 27 N -4.06 0.00 0.10 1.61 5.68 -1.26 -4.91 116.55 113.71 1s7a n ASP 27 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.13 1s7a n ASP 27 Cb 0.02 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.85 1s7a n ASP 27 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1s7a h PHE 28 N 0.00 0.52 -0.10 2.11 -5.15 -1.79 -3.31 116.94 109.22 1s7a h PHE 28 Ca 0.00 -0.38 -0.23 0.00 -0.20 0.00 0.00 57.97 57.15 1s7a h PHE 28 Cb 0.00 -0.02 0.01 0.00 0.22 0.00 0.00 35.95 36.16 1s7a h PHE 28 CO 0.00 1.33 -0.86 -0.91 -2.00 0.00 0.00 178.31 175.87 1s7a h ASN 29 N 0.08 0.87 -0.33 -0.68 4.21 -1.67 -3.28 115.58 114.78 1s7a h ASN 29 Ca -0.17 -0.61 0.02 0.00 1.21 0.00 0.00 56.30 56.75 1s7a h ASN 29 Cb 2.00 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 38.91 1s7a h ASN 29 CO 0.20 1.41 0.16 0.25 -1.29 0.00 0.00 177.43 178.16 1s7a h LEU 30 N 0.46 0.24 -2.41 1.61 5.85 -1.05 4.12 115.31 124.13 1s7a h LEU 30 Ca -0.07 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1s7a h LEU 30 Cb 1.49 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.49 1s7a h LEU 30 CO 0.17 0.18 0.03 -0.65 -0.34 0.00 0.00 178.44 177.82 1s7a h PRO 31 N 0.34 0.00 0.00 5.25 0.11 -1.68 -3.08 132.00 132.94 1s7a h PRO 31 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1s7a h PRO 31 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1s7a h PRO 31 CO -0.10 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.23 1s7a n ARG 32 N -3.89 5.61 -1.65 1.05 5.12 -0.80 -5.00 116.66 117.10 1s7a n ARG 32 Ca -0.02 -0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.48 1s7a n ARG 32 Cb 0.11 -0.41 -0.03 0.00 -1.16 0.00 0.00 32.46 30.97 1s7a n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1s7a s ASP 33 N -0.80 5.23 -0.00 0.55 1.11 1.35 -4.83 116.67 119.28 1s7a s ASP 33 Ca 0.00 1.57 -0.22 0.00 0.18 0.00 0.00 52.55 54.09 1s7a s ASP 33 Cb 0.00 -2.51 -0.20 0.00 1.07 0.00 0.00 42.92 41.28 1s7a s ASP 33 CO 0.00 -2.19 1.16 0.07 1.18 0.00 0.00 175.17 175.39 1s7a h LYS 34 N 16.00 0.31 -0.11 8.23 2.10 -1.89 -2.11 116.57 139.10 1s7a h LYS 34 Ca -0.36 -0.26 -0.09 0.00 -2.00 0.00 0.00 60.65 57.94 1s7a h LYS 34 Cb 1.24 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.61 1s7a h LYS 34 CO 1.03 0.92 -0.35 0.27 -2.00 0.00 0.00 179.45 179.32 1s7a h PHE 35 N -0.21 0.26 -0.02 0.07 -5.15 -1.98 -2.56 116.94 107.35 1s7a h PHE 35 Ca -0.03 -0.06 -0.23 0.00 -0.20 0.00 0.00 57.97 57.46 1s7a h PHE 35 Cb 0.99 -0.06 0.01 0.00 0.22 0.00 0.00 35.95 37.11 1s7a h PHE 35 CO 0.14 0.55 -0.92 1.25 -2.00 0.00 0.00 178.31 177.33 1s7a h LEU 36 N 0.20 0.64 -0.85 2.10 7.12 -1.94 -2.86 115.31 119.72 1s7a h LEU 36 Ca 0.02 -0.49 -0.09 0.00 0.13 0.00 0.00 57.88 57.45 1s7a h LEU 36 Cb 0.71 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.63 1s7a h LEU 36 CO 0.05 1.29 -0.11 0.07 -0.13 0.00 0.00 178.44 179.61 1s7a h LYS 37 N 0.30 0.75 -0.12 1.25 2.10 -1.26 0.61 116.57 120.19 1s7a h LYS 37 Ca -0.08 -0.24 -0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1s7a h LYS 37 Cb 1.55 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.81 1s7a h LYS 37 CO 0.17 0.83 0.07 1.49 -2.00 0.00 0.00 179.45 180.00 1s7a h GLU 38 N 0.68 0.16 -0.18 0.07 4.57 -1.44 -0.95 114.58 117.49 1s7a h GLU 38 Ca 0.12 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.15 1s7a h GLU 38 Cb 0.57 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1s7a h GLU 38 CO 0.04 0.16 -0.42 1.96 -1.18 0.00 0.00 179.01 179.56 1s7a h GLN 39 N 0.12 0.59 -1.00 1.92 1.08 -1.26 0.35 115.11 116.92 1s7a h GLN 39 Ca 0.04 -0.41 0.14 0.00 -1.45 0.00 0.00 58.65 56.97 1s7a h GLN 39 Cb 0.04 0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 27.44 1s7a h GLN 39 CO -0.01 1.02 0.63 0.82 -0.95 0.00 0.00 178.83 180.34 1s7a h ILE 40 N 0.26 0.87 0.00 2.54 2.04 0.38 -2.13 117.51 121.47 1s7a h ILE 40 Ca -0.00 -0.32 -0.27 0.00 1.00 0.00 0.00 64.86 65.27 1s7a h ILE 40 Cb 1.03 -0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1s7a h ILE 40 CO 0.09 0.17 -1.69 2.29 0.00 0.00 0.00 178.15 179.01 1s7a n LYS 41 N -4.64 0.63 0.00 2.37 -0.00 -0.37 -1.41 118.16 114.73 1s7a n LYS 41 Ca 0.20 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 1s7a n LYS 41 Cb 0.41 -1.78 0.00 0.00 -0.00 0.00 0.00 35.03 33.66 1s7a n LYS 41 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1s7a n LEU 42 N -2.98 0.00 -3.62 -5.58 7.94 0.12 -4.23 117.00 108.65 1s7a n LEU 42 Ca -0.16 0.51 -0.29 0.00 -1.11 0.00 0.00 56.01 54.95 1s7a n LEU 42 Cb 1.01 -0.09 -0.14 0.00 0.53 0.00 0.00 43.42 44.73 1s7a n LEU 42 CO 0.44 -0.09 -0.30 -1.81 -1.11 0.00 0.00 177.39 174.52 1s7a s ASP 43 N -2.62 3.56 0.00 1.96 1.11 -1.25 -4.86 116.67 114.58 1s7a s ASP 43 Ca 0.00 -2.00 0.00 0.00 0.18 0.00 0.00 52.55 50.73 1s7a s ASP 43 Cb 0.00 -0.70 0.00 0.00 1.07 0.00 0.00 42.92 43.29 1s7a s ASP 43 CO 0.00 -0.35 0.00 -0.62 1.18 0.00 0.00 175.17 175.38 1s7a n GLU 44 N 4.34 0.00 0.00 8.23 -0.58 -1.26 -3.23 120.64 128.14 1s7a n GLU 44 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1s7a n GLU 44 Cb 0.39 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 1s7a n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s7a n GLY 45 N -0.57 1.74 3.66 0.62 0.00 -0.50 -4.89 105.19 105.25 1s7a n GLY 45 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1s7a n GLY 45 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s7a n TRP 46 N -1.17 2.33 -4.51 1.61 5.03 -1.20 -4.33 117.44 115.20 1s7a n TRP 46 Ca 0.00 -0.13 -0.34 0.00 3.03 0.00 0.00 57.50 60.06 1s7a n TRP 46 Cb 0.00 -2.71 -0.12 0.00 -1.03 0.00 0.00 31.31 27.45 1s7a n TRP 46 CO 0.00 0.00 0.00 0.08 -0.03 0.00 0.00 177.69 177.74 1s7a s VAL 47 N 4.76 3.81 0.07 -0.99 1.01 0.48 -4.83 120.40 124.71 1s7a s VAL 47 Ca 0.93 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 62.29 1s7a s VAL 47 Cb -0.58 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 1s7a s VAL 47 CO 0.47 0.55 0.62 -2.16 0.00 0.00 0.00 175.10 174.58 1s7a s PRO 48 N -0.23 4.31 0.00 2.72 0.04 -1.26 0.18 135.00 140.75 1s7a s PRO 48 Ca 0.04 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1s7a s PRO 48 Cb -0.13 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1s7a s PRO 48 CO 0.02 0.55 0.38 1.28 0.04 0.00 0.00 177.00 179.27 1s7a n LEU 49 N 1.97 0.00 -0.24 -3.56 4.32 -1.25 -2.06 117.00 116.18 1s7a n LEU 49 Ca -0.08 0.01 -0.03 0.00 -0.02 0.00 0.00 56.01 55.89 1s7a n LEU 49 Cb 0.50 -0.01 0.08 0.00 -1.62 0.00 0.00 43.42 42.37 1s7a n LEU 49 CO 0.43 -0.01 1.14 1.05 -1.22 0.00 0.00 177.39 178.77 1s7a h GLU 50 N 0.00 0.81 -0.39 3.23 4.11 -1.91 1.94 114.58 122.37 1s7a h GLU 50 Ca 0.00 -0.05 -0.14 0.00 0.07 0.00 0.00 59.36 59.24 1s7a h GLU 50 Cb 0.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1s7a h GLU 50 CO 0.00 0.54 -0.30 0.82 0.07 0.00 0.00 179.01 180.14 1s7a h ILE 51 N 0.84 1.28 0.06 -1.06 2.04 -1.82 -2.66 117.51 116.18 1s7a h ILE 51 Ca 0.28 -1.47 -0.15 0.00 1.00 0.00 0.00 64.86 64.52 1s7a h ILE 51 Cb 0.02 1.34 0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1s7a h ILE 51 CO -0.11 0.49 -0.63 0.24 0.00 0.00 0.00 178.15 178.14 1s7a h MET 52 N 0.72 0.31 0.00 2.37 2.86 -1.54 -1.62 114.93 118.03 1s7a h MET 52 Ca 0.07 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.28 1s7a h MET 52 Cb 0.88 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 1s7a h MET 52 CO 0.08 1.14 -0.07 -0.84 1.06 0.00 0.00 176.91 178.28 1s7a h ILE 53 N -0.31 0.61 -0.00 -1.22 -0.00 0.30 -2.22 117.51 114.67 1s7a h ILE 53 Ca -0.10 -0.31 0.00 0.00 -0.00 0.00 0.00 64.86 64.45 1s7a h ILE 53 Cb 1.41 1.19 0.00 0.00 -0.00 0.00 0.00 36.82 39.43 1s7a h ILE 53 CO 0.12 0.07 -0.81 1.17 -0.00 0.00 0.00 178.15 178.70 1s7a n LYS 54 N -3.80 1.20 -1.95 0.16 4.81 -1.00 -3.68 118.16 113.90 1s7a n LYS 54 Ca -0.02 -0.04 -0.41 0.00 -0.87 0.00 0.00 58.31 56.96 1s7a n LYS 54 Cb 0.17 -1.33 -0.01 0.00 0.02 0.00 0.00 35.03 33.87 1s7a n LYS 54 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1s7a s PHE 55 N -2.64 2.86 0.64 5.64 0.08 -0.61 -4.61 117.98 119.34 1s7a s PHE 55 Ca 0.07 1.15 0.39 0.00 0.12 0.00 0.00 56.93 58.65 1s7a s PHE 55 Cb 0.13 -3.87 2.18 0.00 -0.57 0.00 0.00 43.02 40.88 1s7a s PHE 55 CO 0.71 -2.66 2.31 -0.97 -0.10 0.00 0.00 175.22 174.51 1s7a h ASN 56 N 3.93 0.00 1.09 1.36 -1.24 -1.89 1.64 115.58 120.47 1s7a h ASN 56 Ca -0.48 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.37 1s7a h ASN 56 Cb 1.23 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.25 1s7a h ASN 56 CO 0.70 0.00 -0.73 -0.09 -1.29 0.00 0.00 177.43 176.03 1s7a h ARG 57 N 0.00 0.00 0.00 6.67 1.12 -1.89 -3.28 114.38 117.00 1s7a h ARG 57 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.71 1s7a h ARG 57 Cb 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.98 1s7a h ARG 57 CO -0.00 0.73 -1.60 1.28 -3.11 0.00 0.00 179.97 177.27 1s7a n LEU 58 N -3.38 2.56 0.27 3.80 4.77 -0.26 -4.53 117.00 120.23 1s7a n LEU 58 Ca 0.00 -0.02 0.18 0.00 -0.03 0.00 0.00 56.01 56.15 1s7a n LEU 58 Cb 0.79 -0.36 0.91 0.00 -2.33 0.00 0.00 43.42 42.43 1s7a n LEU 58 CO 0.43 0.59 1.15 -1.13 -1.33 0.00 0.00 177.39 177.10 1s7a h ASN 59 N -0.08 0.00 0.26 -1.43 -0.73 0.23 0.19 115.58 114.03 1s7a h ASN 59 Ca -0.24 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.93 1s7a h ASN 59 Cb 1.34 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.93 1s7a h ASN 59 CO -0.06 0.00 0.00 -2.11 -0.37 0.00 0.00 177.43 174.89 1s7a n ARG 60 N -3.29 0.23 0.01 6.67 1.85 -1.24 -4.17 116.66 116.72 1s7a n ARG 60 Ca -0.00 0.14 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 1s7a n ARG 60 Cb 0.32 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 1s7a n ARG 60 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1s7a n LEU 61 N -1.27 0.14 -4.04 2.89 7.94 0.65 -5.12 117.00 118.19 1s7a n LEU 61 Ca 0.07 0.03 -0.08 0.00 -1.11 0.00 0.00 56.01 54.92 1s7a n LEU 61 Cb 0.11 -0.04 -0.10 0.00 0.53 0.00 0.00 43.42 43.92 1s7a n LEU 61 CO 0.11 -0.54 -0.36 -0.89 -1.11 0.00 0.00 177.39 174.60 1s7a s THR 62 N -1.14 0.17 0.00 1.96 2.01 -1.07 -5.04 115.64 112.52 1s7a s THR 62 Ca 0.00 -1.39 0.00 0.00 0.31 0.00 0.00 61.69 60.61 1s7a s THR 62 Cb 0.00 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1s7a s THR 62 CO 0.00 -0.77 0.65 0.35 -0.69 0.00 0.00 174.62 174.16 1s7a n THR 63 N 0.80 0.00 -2.66 -0.82 -2.24 -1.26 -4.24 114.28 103.85 1s7a n THR 63 Ca -0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1s7a n THR 63 Cb 0.58 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1s7a n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s7a s ASP 64 N -0.35 6.18 0.32 3.42 2.15 -1.26 -4.87 116.67 122.26 1s7a s ASP 64 Ca 0.00 -0.62 0.19 0.00 0.43 0.00 0.00 52.55 52.56 1s7a s ASP 64 Cb 0.00 -2.51 1.14 0.00 -0.30 0.00 0.00 42.92 41.25 1s7a s ASP 64 CO 0.00 -1.68 1.31 0.49 -0.17 0.00 0.00 175.17 175.11 1s7a n PHE 65 N 8.74 0.89 -0.03 -5.34 3.01 -1.26 0.26 117.46 123.73 1s7a n PHE 65 Ca 0.01 0.89 -0.11 0.00 1.01 0.00 0.00 57.45 59.25 1s7a n PHE 65 Cb 0.48 -1.31 0.02 0.00 -0.01 0.00 0.00 39.48 38.66 1s7a n PHE 65 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1s7a h ASN 66 N 0.00 0.75 -0.24 4.37 -0.26 -1.92 -2.45 115.58 115.84 1s7a h ASN 66 Ca 0.71 -0.40 -0.08 0.00 -0.56 0.00 0.00 56.30 55.97 1s7a h ASN 66 Cb 1.97 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 39.01 1s7a h ASN 66 CO -0.58 1.15 -0.17 0.58 -1.06 0.00 0.00 177.43 177.34 1s7a h VAL 67 N 0.52 1.31 -0.12 2.81 2.07 0.32 0.44 116.25 123.61 1s7a h VAL 67 Ca 0.01 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1s7a h VAL 67 Cb 1.12 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1s7a h VAL 67 CO 0.11 0.40 0.05 0.40 0.02 0.00 0.00 177.57 178.55 1s7a h ILE 68 N 0.24 1.14 -0.40 4.57 5.03 -1.23 -0.21 117.51 126.66 1s7a h ILE 68 Ca 0.05 -0.43 -0.16 0.00 -0.12 0.00 0.00 64.86 64.20 1s7a h ILE 68 Cb 0.71 1.21 -0.01 0.00 -3.03 0.00 0.00 36.82 35.70 1s7a h ILE 68 CO 0.05 0.13 -0.36 -0.37 -0.68 0.00 0.00 178.15 176.91 1s7a h VAL 69 N 0.04 1.27 -0.14 1.67 -1.51 -1.46 -0.28 116.25 115.84 1s7a h VAL 69 Ca 0.04 -1.53 0.02 0.00 -1.23 0.00 0.00 66.70 63.99 1s7a h VAL 69 Cb 0.16 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 30.66 1s7a h VAL 69 CO -0.00 0.52 0.03 -0.08 -1.23 0.00 0.00 177.57 176.80 1s7a h GLU 70 N 0.77 0.08 -0.18 5.19 4.57 0.05 0.33 114.58 125.40 1s7a h GLU 70 Ca 0.07 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 1s7a h GLU 70 Cb 0.96 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1s7a h GLU 70 CO 0.09 0.06 -0.23 0.00 -1.18 0.00 0.00 179.01 177.75 1s7a h ALA 71 N 1.10 1.28 -0.01 2.92 0.00 -0.98 -2.25 119.26 121.31 1s7a h ALA 71 Ca 0.06 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1s7a h ALA 71 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1s7a h ALA 71 CO -0.08 0.48 -0.45 1.25 0.00 0.00 0.00 179.25 180.46 1s7a h LEU 72 N 0.29 0.03 -1.88 0.00 7.12 -0.01 -2.72 115.31 118.14 1s7a h LEU 72 Ca 0.05 -0.01 0.10 0.00 0.13 0.00 0.00 57.88 58.14 1s7a h LEU 72 Cb 0.57 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1s7a h LEU 72 CO 0.04 0.48 0.47 0.77 -0.13 0.00 0.00 178.44 180.07 1s7a h SER 73 N 0.03 0.00 0.00 1.25 4.64 0.26 -0.79 113.55 118.93 1s7a h SER 73 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1s7a h SER 73 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1s7a h SER 73 CO 0.06 0.00 -1.60 0.29 -0.87 0.00 0.00 176.83 174.70 1s7a n LYS 74 N -3.45 0.69 -1.07 4.77 4.76 -1.06 -5.02 118.16 117.78 1s7a n LYS 74 Ca 0.06 -0.09 -0.34 0.00 -2.87 0.00 0.00 58.31 55.06 1s7a n LYS 74 Cb 0.62 -1.29 0.11 0.00 -1.84 0.00 0.00 35.03 32.63 1s7a n LYS 74 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1s7a n SER 75 N -2.02 -0.14 -3.68 4.39 3.41 -0.30 -4.89 113.62 110.39 1s7a n SER 75 Ca -0.05 0.53 -0.41 0.00 -0.26 0.00 0.00 58.87 58.68 1s7a n SER 75 Cb 0.42 -1.38 0.01 0.00 -0.26 0.00 0.00 64.21 63.01 1s7a n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s7a n LYS 76 N -2.37 5.00 -0.17 4.33 5.02 -1.26 -4.71 118.16 124.00 1s7a n LYS 76 Ca 0.11 -4.33 0.02 0.00 -2.02 0.00 0.00 58.31 52.10 1s7a n LYS 76 Cb 0.51 -2.54 0.09 0.00 -0.02 0.00 0.00 35.03 33.07 1s7a n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s7a n ALA 77 N 0.79 2.69 -0.51 7.82 0.00 -1.26 -4.41 120.51 125.63 1s7a n ALA 77 Ca 0.46 -0.40 0.39 0.00 0.00 0.00 0.00 53.44 53.89 1s7a n ALA 77 Cb 0.28 -1.01 0.61 0.00 0.00 0.00 0.00 19.45 19.32 1s7a n ALA 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s7a n GLU 78 N 0.10 -0.01 0.11 0.00 1.02 -1.26 -0.53 120.64 120.07 1s7a n GLU 78 Ca 0.06 0.86 -0.08 0.00 -0.02 0.00 0.00 57.16 57.99 1s7a n GLU 78 Cb 0.35 -1.93 -0.04 0.00 -0.02 0.00 0.00 31.44 29.80 1s7a n GLU 78 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1s7a h LEU 79 N 0.00 -0.61 0.00 -4.62 6.46 -2.01 -3.43 115.31 111.10 1s7a h LEU 79 Ca 0.72 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.53 1s7a h LEU 79 Cb 2.76 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 42.90 1s7a h LEU 79 CO -0.09 -0.27 0.00 1.15 -0.62 0.00 0.00 178.44 178.61 1s7a n MET 80 N -3.66 0.80 -3.82 1.25 0.00 0.31 -4.26 117.12 107.73 1s7a n MET 80 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.53 1s7a n MET 80 Cb 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.28 1s7a n MET 80 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1s7a s GLU 81 N -0.64 0.12 0.02 3.17 -6.30 -0.72 -4.72 118.70 109.64 1s7a s GLU 81 Ca 0.00 0.18 0.08 0.00 -2.50 0.00 0.00 54.97 52.73 1s7a s GLU 81 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 34.13 34.13 1s7a s GLU 81 CO 0.00 -0.04 -0.22 0.42 0.02 0.00 0.00 175.26 175.44 1s7a s ILE 82 N 0.23 1.79 1.07 -3.70 1.01 -1.26 -1.25 121.20 119.09 1s7a s ILE 82 Ca -0.01 -1.16 -0.17 0.00 0.00 0.00 0.00 60.65 59.31 1s7a s ILE 82 Cb -0.02 -1.52 0.12 0.00 0.01 0.00 0.00 42.46 41.04 1s7a s ILE 82 CO -0.01 0.33 0.03 -1.54 0.00 0.00 0.00 174.94 173.75 1s7a n SER 83 N 2.05 -2.74 0.06 3.58 3.41 -1.24 -4.85 113.62 113.89 1s7a n SER 83 Ca -0.17 -0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.32 1s7a n SER 83 Cb 0.53 -0.83 0.37 0.00 -0.26 0.00 0.00 64.21 64.02 1s7a n SER 83 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s7a n GLU 84 N -1.64 0.20 0.04 4.33 1.02 -1.26 -3.39 120.64 119.94 1s7a n GLU 84 Ca 0.03 0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1s7a n GLU 84 Cb 0.51 -1.69 0.29 0.00 -0.02 0.00 0.00 31.44 30.53 1s7a n GLU 84 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1s7a n ASP 85 N -2.01 0.58 -2.42 1.62 2.03 -1.26 -4.97 116.55 110.12 1s7a n ASP 85 Ca 0.05 0.15 -0.08 0.00 0.52 0.00 0.00 54.79 55.44 1s7a n ASP 85 Cb 0.41 -0.06 0.04 0.00 -0.72 0.00 0.00 41.12 40.79 1s7a n ASP 85 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1s7a n LYS 86 N -1.91 -1.27 -0.43 -0.67 4.81 -1.22 -4.97 118.16 112.52 1s7a n LYS 86 Ca 0.05 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1s7a n LYS 86 Cb 0.40 -3.80 0.00 0.00 0.02 0.00 0.00 35.03 31.65 1s7a n LYS 86 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1s7a n THR 87 N -2.42 0.00 -3.47 3.15 5.66 -1.26 -4.68 114.28 111.26 1s7a n THR 87 Ca -0.04 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.83 1s7a n THR 87 Cb 0.56 0.16 -0.03 0.00 -1.55 0.00 0.00 70.33 69.47 1s7a n THR 87 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1s7a s LYS 88 N 0.00 1.12 0.01 1.09 -2.85 -1.26 -3.82 119.74 114.03 1s7a s LYS 88 Ca 0.00 -0.22 0.01 0.00 -1.00 0.00 0.00 55.97 54.76 1s7a s LYS 88 Cb 0.00 0.52 -0.01 0.00 -2.06 0.00 0.00 37.83 36.28 1s7a s LYS 88 CO 0.00 -0.45 -0.05 0.96 0.10 0.00 0.00 175.35 175.91 1s7a s ILE 89 N -2.85 0.33 0.05 3.79 -4.36 0.46 -3.63 121.20 114.99 1s7a s ILE 89 Ca -0.02 -0.48 -0.02 0.00 -0.26 0.00 0.00 60.65 59.87 1s7a s ILE 89 Cb -0.01 -0.34 -0.03 0.00 1.25 0.00 0.00 42.46 43.33 1s7a s ILE 89 CO -0.06 -0.11 -0.00 -0.60 0.24 0.00 0.00 174.94 174.41 1s7a s ARG 90 N -0.64 0.58 0.01 0.37 3.52 -0.38 0.18 118.95 122.59 1s7a s ARG 90 Ca -0.04 -1.07 -0.29 0.00 -0.13 0.00 0.00 55.73 54.20 1s7a s ARG 90 Cb -0.05 0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.51 1s7a s ARG 90 CO -0.00 -0.11 0.92 0.50 -0.81 0.00 0.00 175.30 175.79 1s7a s ARG 91 N -3.44 4.55 -0.30 5.12 6.06 -1.26 -1.75 118.95 127.93 1s7a s ARG 91 Ca 0.02 1.31 -0.28 0.00 -2.50 0.00 0.00 55.73 54.28 1s7a s ARG 91 Cb 0.04 -3.44 -0.03 0.00 0.06 0.00 0.00 34.95 31.58 1s7a s ARG 91 CO -0.08 0.03 1.96 -1.12 -2.50 0.00 0.00 175.30 173.58 1s7a s SER 92 N 0.77 5.69 0.51 -2.12 0.01 -1.26 -4.81 113.70 112.49 1s7a s SER 92 Ca 0.48 1.47 0.25 0.00 1.31 0.00 0.00 55.95 59.46 1s7a s SER 92 Cb -0.21 -2.52 1.37 0.00 0.21 0.00 0.00 66.02 64.87 1s7a s SER 92 CO 0.26 -1.84 2.06 1.55 0.41 0.00 0.00 173.24 175.68 1s7a h PRO 93 N 13.86 0.00 -0.00 12.44 0.13 -1.93 -0.89 132.00 155.61 1s7a h PRO 93 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1s7a h PRO 93 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1s7a h PRO 93 CO 1.01 0.13 -0.10 0.43 -0.23 0.00 0.00 178.00 179.25 1s7a n SER 94 N -3.80 0.28 -4.25 1.44 7.64 -1.26 -4.74 113.62 108.93 1s7a n SER 94 Ca -0.02 -0.29 -0.32 0.00 1.01 0.00 0.00 58.87 59.24 1s7a n SER 94 Cb 0.23 -0.16 -0.16 0.00 -1.01 0.00 0.00 64.21 63.11 1s7a n SER 94 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1s7a s LYS 95 N -2.61 3.14 0.52 1.43 2.47 -0.34 -5.11 119.74 119.25 1s7a s LYS 95 Ca 0.25 -0.82 -0.20 0.00 -1.56 0.00 0.00 55.97 53.64 1s7a s LYS 95 Cb 0.20 -2.42 -0.06 0.00 -1.46 0.00 0.00 37.83 34.09 1s7a s LYS 95 CO 0.50 0.15 1.14 -1.25 0.16 0.00 0.00 175.35 176.05 1s7a s PRO 96 N 0.44 3.44 -0.18 4.03 0.04 -1.26 -4.71 135.00 136.80 1s7a s PRO 96 Ca -0.15 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.57 1s7a s PRO 96 Cb -0.17 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1s7a s PRO 96 CO 0.06 -0.79 -0.16 -0.48 0.04 0.00 0.00 177.00 175.67 1s7a s LEU 97 N -3.61 2.07 0.28 -3.56 0.05 -1.26 -5.10 118.68 107.55 1s7a s LEU 97 Ca 0.71 -0.66 -0.02 0.00 0.05 0.00 0.00 54.13 54.21 1s7a s LEU 97 Cb -0.25 -1.35 -0.04 0.00 -2.05 0.00 0.00 46.19 42.49 1s7a s LEU 97 CO 0.29 -0.05 0.50 -2.16 -0.55 0.00 0.00 176.35 174.39 1s7a s PRO 98 N 1.36 3.54 -0.19 1.48 0.04 -1.26 -4.90 135.00 135.07 1s7a s PRO 98 Ca 0.03 -0.23 -0.03 0.00 0.04 0.00 0.00 61.00 60.82 1s7a s PRO 98 Cb -0.14 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 1s7a s PRO 98 CO -0.11 0.25 -0.07 -2.00 0.04 0.00 0.00 177.00 175.11 1s7a s GLU 99 N -3.77 3.39 0.08 4.56 -6.30 -1.24 -3.84 118.70 111.58 1s7a s GLU 99 Ca 0.41 -0.63 0.05 0.00 -2.50 0.00 0.00 54.97 52.29 1s7a s GLU 99 Cb -0.10 -2.91 -0.04 0.00 0.00 0.00 0.00 34.13 31.08 1s7a s GLU 99 CO 0.32 -0.07 0.00 0.14 0.02 0.00 0.00 175.26 175.67 1s7a s VAL 100 N 1.14 4.03 0.02 3.70 -7.23 -1.26 -4.95 120.40 115.84 1s7a s VAL 100 Ca 0.01 -0.96 -0.23 0.00 -1.81 0.00 0.00 61.98 58.99 1s7a s VAL 100 Cb -0.14 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 1s7a s VAL 100 CO -0.01 0.14 0.70 0.42 -0.31 0.00 0.00 175.10 176.03 1s7a s THR 101 N -1.30 4.81 0.16 5.32 -4.23 -1.26 -4.74 115.64 114.41 1s7a s THR 101 Ca 0.25 1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 62.20 1s7a s THR 101 Cb -0.12 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.63 1s7a s THR 101 CO 0.18 0.38 0.39 1.51 -0.54 0.00 0.00 174.62 176.54 1s7a s ASP 102 N -0.06 6.47 0.00 3.99 -4.77 -1.26 -5.18 116.67 115.87 1s7a s ASP 102 Ca 0.36 0.57 0.00 0.00 -3.30 0.00 0.00 52.55 50.18 1s7a s ASP 102 Cb -0.19 -2.08 0.00 0.00 -1.09 0.00 0.00 42.92 39.55 1s7a s ASP 102 CO 0.21 0.02 0.00 -0.62 0.70 0.00 0.00 175.17 175.47